logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ENAMINE-ZINC05933304

 MMsINC code: MMs01645442
Type: Neutral
Formula: C9H10F3NO3S
SMILES:   S(=O)(=O)(NCC(F)(F)F)c1ccc(OC)cc1
InChI:   InChI=1/C9H10F3NO3S/c1-16-7-2-4-8(5-3-7)17(14,15)13-6-9(10,11)12/h2-5,13H,6H2,1H3

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=41.3365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.243 g/mol  logS: -2.35623  SlogP: 1.9557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105125  Sterimol/B1: 3.07291  Sterimol/B2: 3.33064  Sterimol/B3: 4.33991
  Sterimol/B4: 5.69189  Sterimol/L: 13.5251 
 
 Surface and Volume Properties
  Accessible surface: 438.146  Positive charged surface: 205.735  Negative charged surface: 232.411  Volume: 202
  Hydrophobic surface: 237.738  Hydrophilic surface: 200.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.